1-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-[(4-methylsulfanylphenyl)methyl]urea

Systemtic Name: 1-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-[(4-methylsulfanylphenyl)methyl]urea Openeye Name: 1-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-[(4-methylsulfanylphenyl)methyl]urea CAS Name: 1-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]-1-[[4-(methylthio)phenyl]methyl]urea IUPAC Name: 1-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-[(4-methylsulfanylphenyl)methyl]urea Traditional Name: 1-methyl-3-[4-(4-methylpiperazino)phenyl]-1-[4-(methylthio)benzyl]urea Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H28N4OS/c1-23-12-14-25(15-13-23)19-8-6-18(7-9-19)22-21(26)24(2)16-17-4-10-20(27-3)11-5-17/h4-11H,12-16H2,1-3H3,(H,22,26)